SCHEMBL18354586

SCHEMBL18354586

CC(C)(C)Cc1cnnn1S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.41
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.37
HSD11B1 P28845 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16948827 0.83 SLC9A1 (0.44) SLC9A1ALDH1A1POLBHSD11B1TSHR
SCHEMBL18354125 0.78
SCHEMBL2446368 0.66 PSIP1 (0.60) ALDH1A1POLBHSD11B1HPGDMEN1
SCHEMBL10226076 0.64 CNR2 (0.33) CNR2
SCHEMBL287438 0.64 ALDH1A1 (0.44) SLC9A1ALDH1A1POLBTSHRHPGD
SCHEMBL20380789 0.62 GGPS1 (0.36)
SCHEMBL16518645 0.62 GGPS1 (0.33)
SCHEMBL10202089 0.62 POLB (0.60) ALDH1A1POLBGAA
SCHEMBL11644146 0.62 SLC9A1 (0.44) SLC9A1ALDH1A1POLBTSHRHPGD
SCHEMBL11068977 0.62 SLC9A1 (0.50) SLC9A1ALDH1A1POLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 US disclosed
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 US disclosed
US-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2017-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS SNCA, DDT, DRD1 SLC9A1 1356/4885ALDH1A1 201/4885POLB 1836/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.